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BioLiP

PDB CCD ID: 9XQ
Number of entries in BioLiP: 0
Chemical formula: C8 H10 N3 O2
InChI: InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1
InChIKey: STUCMBRFCQKITK-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=[NH2+])Nc1cccc(c1)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(cc(c1)NC(=[NH2+])N)C(=O)O
Name:[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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